Name: 34b
SMILES:
COc1ccc2nc(-c3ccc(OC)c(F)c3)c(Cl)c(Br)c2c1Molecular Processing
Molecular formula
C17H12BrClFNO2
Molecular weight
396.64
Exact mass
394.9724
XLogP
5.47
TPSA
31.35
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
92.95
Supplementary Information
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